Author of the publication

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach.

, , , , , , , , , and . J. Comput. Chem., 39 (32): 2679-2689 (2018)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach., , , , , , , , , and . J. Comput. Chem., 39 (32): 2679-2689 (2018)Machine learning accelerates MD-based binding pose prediction between ligands and proteins., , , , and . Bioinform., 34 (5): 770-778 (2018)Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy., , , , , , , , , and 4 other author(s). J. Comput. Chem., 43 (20): 1362-1371 (2022)Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations., , , , , , , and . J. Chem. Inf. Model., 61 (7): 3304-3313 (2021)Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking., , , , and . J. Chem. Inf. Model., 61 (10): 5161-5171 (2021)Extraction of protein dynamics information from cryo-EM maps using deep learning., , , , , and . Nat. Mach. Intell., 3 (2): 153-160 (2021)Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking., , , , and . J. Comput. Chem., 41 (17): 1606-1615 (2020)The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their Inhibitors., , , , , and . Journal of Chemical Information and Modeling, 56 (12): 2445-2456 (2016)